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5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

  • CAS No. 848591-86-6

  • Cat. No. CS-0127611
  • Molecule weight230.26
  • Purity98+%
  • MDL No.MFCD09025774

*For research and further manufacturing use only, not for direct human use.

5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione|CS-0127611

Structure of 848591-86-6

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General Information

  • CAS No. 848591-86-6
  • Cat. No. CS-0127611
  • Purity 98+%
  • MDL No. MFCD09025774
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O₂
  • Molecular Weight 230.26
  • Synonym(s) 5-Benzyl-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
  • SMILES O=C(C1C2CN(CC3=CC=CC=C3)C1)NC2=O

Synthesis

  • Route1

    References

    • TARGACEPT, INC. Patent: WO2008/57938 A1, 2008 ; Location in patent: Page/Page column 29-30 ; WO 2008/057938 A1
  • Route2
    • 2,5-Dibenzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione|CS-0714042
      165893-99-2
    • ~72%
    • 5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione|CS-0127611
      848591-86-6

    References

    • GLAXO GROUP LIMITED Patent: WO2006/12396 A1, 2006 ; Location in patent: Page/Page column 21; 33-34 ;
  • Route3
    • null|null
      866319-12-2
    • ~%
    • 5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione|CS-0127611
      848591-86-6

    References

    • Aventis Pharma S.A. Patent: US2007/93480 A1, 2007 ; Location in patent: Page/Page column 48 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   49.41
  • LogP   0.391
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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